N-methyl-4-[2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazol-2-amine

C12H10F3N5S — CID 145385991

IUPACN-methyl-4-[2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazol-2-amine
SMILESCNc1nc(-c2c(CC(F)(F)F)nc3ncccn23)cs1
InChIInChI=1S/C12H10F3N5S/c1-16-11-19-8(6-21-11)9-7(5-12(13,14)15)18-10-17-3-2-4-20(9)10/h2-4,6H,5H2,1H3,(H,16,19)
InChIKeyUERZOFOAQKDNIC-UHFFFAOYSA-N
MW313.31 g/mol
LogP3.00
Rot. Bonds3

About N-methyl-4-[2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazol-2-amine

N-methyl-4-[2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazol-2-amine (PubChem CID 145385991) has the molecular formula C12H10F3N5S and a molecular weight of 313.31 g/mol. Its IUPAC name is N-methyl-4-[2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-[2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazol-2-amine
PubChem CID145385991
Molecular FormulaC12H10F3N5S
Molecular Weight313.31 g/mol
Exact Mass313.06
IUPAC NameN-methyl-4-[2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazol-2-amine
SMILESCNc1nc(-c2c(CC(F)(F)F)nc3ncccn23)cs1
InChIInChI=1S/C12H10F3N5S/c1-16-11-19-8(6-21-11)9-7(5-12(13,14)15)18-10-17-3-2-4-20(9)10/h2-4,6H,5H2,1H3,(H,16,19)
InChIKeyUERZOFOAQKDNIC-UHFFFAOYSA-N
XLogP3.00
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-[2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazol-2-amine (CID 145385991) is N-methyl-4-[2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-[2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-[2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazol-2-amine is CNc1nc(-c2c(CC(F)(F)F)nc3ncccn23)cs1.
What is the InChIKey of N-methyl-4-[2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazol-2-amine?
The InChIKey is UERZOFOAQKDNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5S/c1-16-11-19-8(6-21-11)9-7(5-12(13,14)15)18-10-17-3-2-4-20(9)10/h2-4,6H,5H2,1H3,(H,16,19).
What are the key properties of N-methyl-4-[2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazol-2-amine?
N-methyl-4-[2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazol-2-amine has a molecular weight of 313.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 145385991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).